(Q104935411)

English

[(1S,4aS,6S,7S,7aR)-6-hydroxy-7-(hydroxymethyl)-4-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

chemical compound

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instance of

type of chemical entity

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subclass of

[6-Hydroxy-7-(hydroxymethyl)-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

462.2101119079999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

[(1S,4aS,6S,7S,7aR)-6-hydroxy-7-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,4aR,6R,7R,7aR)-6-hydroxy-7-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,4aS,6S,7R,7aS)-6-hydroxy-7-(hydroxymethyl)-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

1 reference

1 reference

C₂₁H₃₄O₁₁

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canonical SMILES

O=C(OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C3CC(O)C(CO)C13)CC(C)C

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isomeric SMILES

CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@H]12

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Identifiers

InChI

InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14+,16-,17-,18-,19+,20+,21-/m1/s1

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InChIKey

BGDMXWQJUGENQP-BOPBLCLDSA-N

0 references

PubChem CID

154497161

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BGDMXWQJUGENQP-BOPBLCLDSA-N

1 reference

(Q104935411)

[(1S,4aS,6S,7S,7aR)-6-hydroxy-7-(hydroxymethyl)-4-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

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